Chlorine in PDB 7ond: Halotag Engineering For Enhanced Fluorogenicity and Kinetics with A Styrylpyridine Dye

All present enzymatic activity of Halotag Engineering For Enhanced Fluorogenicity and Kinetics with A Styrylpyridine Dye:
3.8.1.5;

The structure of Halotag Engineering For Enhanced Fluorogenicity and Kinetics with A Styrylpyridine Dye, PDB code: 7ond was solved by A.Stein, A.D.Liang, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	47.10 / 1.45
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	47.586, 68.558, 81.179, 90, 98.57, 90
R / Rfree (%)	16.3 / 18.6

The structure of Halotag Engineering For Enhanced Fluorogenicity and Kinetics with A Styrylpyridine Dye also contains other interesting chemical elements:

Magnesium

(Mg)

1 atom

The binding sites of Chlorine atom in the Halotag Engineering For Enhanced Fluorogenicity and Kinetics with A Styrylpyridine Dye (pdb code 7ond). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Halotag Engineering For Enhanced Fluorogenicity and Kinetics with A Styrylpyridine Dye, PDB code: 7ond:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Halotag Engineering For Enhanced Fluorogenicity and Kinetics with A Styrylpyridine Dye


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Halotag Engineering For Enhanced Fluorogenicity and Kinetics with A Styrylpyridine Dye within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl402 b:8.1 occ:1.00 NE1 A:TRP107 3.3 6.6 1.0 ND2 A:ASN41 3.3 7.2 1.0 N A:PRO206 3.5 6.5 1.0 CA A:PRO206 3.7 6.8 1.0 CD A:PRO206 3.7 6.8 1.0 CZ A:PHE168 3.7 9.7 1.0 CD1 A:TRP107 3.8 6.1 1.0 C A:PHE205 3.8 6.6 1.0 CB A:PHE205 3.8 6.8 1.0 C20 A:VF2401 3.9 12.7 1.0 CD1 A:LEU209 4.0 8.6 1.0 CB A:ASN41 4.0 6.6 1.0 C19 A:VF2401 4.0 15.9 1.0 CB A:PRO206 4.0 7.2 1.0 C18 A:VF2401 4.0 20.2 1.0 O A:PHE205 4.1 7.1 1.0 CG A:LEU209 4.1 8.2 1.0 CG A:ASN41 4.2 6.6 1.0 CD2 A:LEU209 4.2 9.0 1.0 CE2 A:PHE168 4.3 10.9 1.0 CA A:PHE205 4.4 6.5 1.0 CG A:PRO206 4.4 7.7 1.0 CE2 A:PHE149 4.5 8.5 1.0 CE2 A:TRP107 4.5 6.1 1.0 CE1 A:PHE168 4.5 10.4 1.0 OD2 A:ASP106 4.8 7.0 1.0 CG A:PHE205 4.8 7.0 1.0

Chlorine binding site 2 out of 2 in the Halotag Engineering For Enhanced Fluorogenicity and Kinetics with A Styrylpyridine Dye


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Halotag Engineering For Enhanced Fluorogenicity and Kinetics with A Styrylpyridine Dye within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl402 b:7.3 occ:1.00 NE1 B:TRP107 3.2 6.5 1.0 ND2 B:ASN41 3.3 6.7 1.0 N B:PRO206 3.6 7.2 1.0 CA B:PRO206 3.7 7.0 1.0 CD1 B:TRP107 3.7 6.0 1.0 CD B:PRO206 3.7 7.1 1.0 CZ B:PHE168 3.8 9.1 1.0 C20 B:VF2401 3.8 11.4 1.0 C B:PHE205 3.8 7.0 1.0 CB B:PHE205 3.9 6.9 1.0 C18 B:VF2401 3.9 17.8 1.0 CB B:ASN41 4.0 6.4 1.0 CD1 B:LEU209 4.0 8.4 1.0 C19 B:VF2401 4.0 15.5 1.0 CB B:PRO206 4.0 7.0 1.0 O B:PHE205 4.1 7.2 1.0 CG B:ASN41 4.2 6.3 1.0 CG B:LEU209 4.2 7.9 1.0 CE2 B:PHE168 4.3 9.8 1.0 CD2 B:LEU209 4.3 8.6 1.0 CG B:PRO206 4.4 7.4 1.0 CE2 B:TRP107 4.5 5.9 1.0 CA B:PHE205 4.5 6.7 1.0 CE2 B:PHE149 4.5 9.4 1.0 CE1 B:PHE168 4.6 9.4 1.0 OD2 B:ASP106 4.8 6.6 1.0 CG B:PHE205 4.9 6.7 1.0

C.Miro-Vinyals, A.Stein, S.Fischer, T.R.Ward, A.D.Liang. Halotag Engineering For Enhanced Fluorogenicity and Kinetics with A Styrylpyridine Dye To Be Published.